4-[4-(adamantan-1-yl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-[4-(adamantan-1-yl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
4-[4-(adamantan-1-yl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8016-4872 |
| Compound Name: | 4-[4-(adamantan-1-yl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C22 H25 N5 O2 |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)N1CCN(CC1)c1cc(C#N)c(C#N)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3537 |
| logD: | 4.1714 |
| logSw: | -4.497 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.535 |
| InChI Key: | PHSYVHQQWOOSCE-UHFFFAOYSA-N |